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CAS 2044902-51-2 3-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one hydrochloride molecular structure lightbox
CAS RN: 2044902-51-2

3-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-096307
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2044902-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2044902-51-2 / 3-(aminomethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one;hydrochloride

Standard CAS: 2044902-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044902-51-2
Multi CAS
No
Molecular Formula
C9H13ClN2O
Molecular Weight
200.660000
Exact Mass
200.071641
SMILES
C1CC2=C(C1)NC(=O)C(=C2)CN.Cl
InChI
InChI=1S/C9H12N2O.ClH/c10-5-7-4-6-2-1-3-8(6)11-9(7)12;/h4H,1-3,5,10H2,(H,11,12);1H
InChIKey
SLGZOXXQKDRVNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.23
TPSA
58.88

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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